<HashMap><database>biostudies-other</database><scores/><additional><omics_type>Unknown</omics_type><volume>61</volume><submitter>Zainab Ashimiyu-Abdusalam</submitter><journal>Journal of chemical information and modeling</journal><pagination>2530-2536</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/MODEL2406030002</full_dataset_link><repository>biostudies-other</repository><additional_accession>34038123</additional_accession><pubmed_authors>Zainab Ashimiyu-Abdusalam</pubmed_authors><pubmed_authors>Miquel Duran-Frigola</pubmed_authors></additional><is_claimable>false</is_claimable><name>Francoeur2021 - SolTranNet–A Machine Learning Tool for Fast Aqueous Solubility Prediction</name><description>&lt;p>Fast aqueous solubility prediction based on the Molecule Attention Transformer (MAT). The authors used AqSolDB to fine-tune the MAT network to solubility prediction, achieving competitive scores in the Second Challenge to Predict Aqueous Solubility (SC2).&lt;/p>&lt;p>&lt;normal>Model Type:&lt;/normal> Predictive machine learning model.&lt;br>&lt;normal>Model Relevance:&lt;/normal> Predicts log of the solubility of small molecules.&lt;br>&lt;normal>Model Encoded by:&lt;/normal>  Miquel Duran Frigola (Ersilia)&lt;br>&lt;normal>Metadata Submitted in BioModels by:&lt;/normal> Zainab Ashimiyu-Abdusalam&lt;/p>&lt;p>Implementation of this model code by &lt;a href="https://ersilia.io/">Ersilia&lt;/a> is available here: &lt;br>&lt;a href="https://github.com/ersilia-os/eos6oli">https://github.com/ersilia-os/eos6oli&lt;/a>&lt;/p>&lt;img src="https://www.ebi.ac.uk/biomodels/static-assets/images/ersilia-logo.png" alt="Ersilia Logo" width="150"></description><dates><release>2024-06-03T00:00:00Z</release><modification>2025-07-14T17:02:02.709Z</modification><creation>2025-03-31T13:26:19.623Z</creation></dates><accession>MODEL2406030002</accession><cross_references><bao>0000009</bao><bao>0002305</bao><bao>0002775</bao><bao>0002135</bao><stato>STATO:0000233</stato><stato>STATO:0000564</stato><pubmed>34038123</pubmed><ncit>NCIT:C53237</ncit><ncit>NCIT:C64214</ncit><ncit>NCIT:C64364</ncit><ncit>NCIT:C134259</ncit><ncit>NCIT:C16309</ncit><ncit>NCIT:C176258</ncit><edam>topic_3336</edam><edam>topic_0154</edam><edam>topic_3474</edam><edam>data_1497</edam><cheminf>CHEMINF:000018</cheminf><obi>OBI_0200032</obi><pato>PATO:0001538</pato><mi>MI:2045</mi><mi>MI:2160</mi><unknown>eos6oli</unknown><unknown>SolTranNet_paper</unknown><unknown>SolTranNet</unknown><unknown>OVHAW8</unknown></cross_references></HashMap>